REMARK  Name = BDB053339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.859   1.919   0.670  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.176   0.824   0.227  0.00  0.00    +0.272 A 
ATOM      3  N   LIG    1       -0.369  -0.236  -0.217  0.00  0.00    -0.244 N 
ATOM      4  S   LIG    1       -1.297  -1.601  -0.761  0.00  0.00    +0.017 S 
ATOM      5  C   LIG    1       -2.817  -0.772  -0.401  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -4.031  -1.315  -0.606  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -5.081  -0.528  -0.269  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.959   0.759   0.255  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.683   1.285   0.451  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -2.601   0.488   0.110  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.064  -0.247  -0.242  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        1.785  -1.366  -0.709  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        3.187  -1.386  -0.737  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        3.902  -0.273  -0.293  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        3.221   0.851   0.175  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        1.818   0.855   0.197  0.00  0.00    +0.029 A 
BRANCH  14  17
ATOM     17  N   LIG    1        5.370  -0.285  -0.319  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1        5.962   0.726   0.085  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        5.929  -1.306  -0.744  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   3  11
TORSDOF 2